CONFLIST BCL        BCLBK BCL01 BCL-1 

NATOM    BCLBK      5
NATOM    BCL01      79
NATOM    BCL-1      79

IATOM    BCLBK  C1  0
IATOM    BCLBK  C2  1
IATOM    BCLBK  C3  2
IATOM    BCLBK  C4  3
IATOM    BCLBK  C5  4
IATOM    BCL01 MG   0
IATOM    BCL01  CHA 1
IATOM    BCL01  CHB 2
IATOM    BCL01  CHC 3
IATOM    BCL01  CHD 4
IATOM    BCL01  HHB 5
IATOM    BCL01  HHC 6
IATOM    BCL01  HHD 7
IATOM    BCL01  N A 8
IATOM    BCL01  C1A 9
IATOM    BCL01  C2A 10
IATOM    BCL01  C3A 11
IATOM    BCL01  C4A 12
IATOM    BCL01  CMA 13
IATOM    BCL01  CAA 14
IATOM    BCL01  CBA 15
IATOM    BCL01  CGA 16
IATOM    BCL01  O1A 17
IATOM    BCL01  O2A 18
IATOM    BCL01 1HMA 19
IATOM    BCL01 2HMA 20
IATOM    BCL01 3HMA 21
IATOM    BCL01  H2A 22
IATOM    BCL01  H3A 23
IATOM    BCL01 1HAA 24
IATOM    BCL01 2HAA 25
IATOM    BCL01 1HBA 26
IATOM    BCL01 2HBA 27
IATOM    BCL01  N B 28
IATOM    BCL01  C1B 29
IATOM    BCL01  C2B 30
IATOM    BCL01  C3B 31
IATOM    BCL01  C4B 32
IATOM    BCL01  CMB 33
IATOM    BCL01  CAB 34
IATOM    BCL01  CBB 35
IATOM    BCL01  OBB 36
IATOM    BCL01 1HMB 37
IATOM    BCL01 2HMB 38
IATOM    BCL01 3HMB 39
IATOM    BCL01 1HBB 40
IATOM    BCL01 2HBB 41
IATOM    BCL01 3HBB 42
IATOM    BCL01  N C 43
IATOM    BCL01  C1C 44
IATOM    BCL01  C2C 45
IATOM    BCL01  C3C 46
IATOM    BCL01  C4C 47
IATOM    BCL01  CMC 48
IATOM    BCL01  CAC 49
IATOM    BCL01  CBC 50
IATOM    BCL01 1HMC 51
IATOM    BCL01 2HMC 52
IATOM    BCL01 3HMC 53
IATOM    BCL01  HAC 54
IATOM    BCL01  H2C 55
IATOM    BCL01 1HBC 56
IATOM    BCL01 2HBC 57
IATOM    BCL01 3HBC 58
IATOM    BCL01  N D 59
IATOM    BCL01  C1D 60
IATOM    BCL01  C2D 61
IATOM    BCL01  C3D 62
IATOM    BCL01  C4D 63
IATOM    BCL01  CMD 64
IATOM    BCL01  CAD 65
IATOM    BCL01  OBD 66
IATOM    BCL01  CBD 67
IATOM    BCL01  CGD 68
IATOM    BCL01  O1D 69
IATOM    BCL01  O2D 70
IATOM    BCL01  CED 71
IATOM    BCL01 1HMD 72
IATOM    BCL01 2HMD 73
IATOM    BCL01 3HMD 74
IATOM    BCL01  HBD 75
IATOM    BCL01 1HED 76
IATOM    BCL01 2HED 77
IATOM    BCL01 3HED 78
IATOM    BCL-1 MG   0
IATOM    BCL-1  CHA 1
IATOM    BCL-1  CHB 2
IATOM    BCL-1  CHC 3
IATOM    BCL-1  CHD 4
IATOM    BCL-1  HHB 5
IATOM    BCL-1  HHC 6
IATOM    BCL-1  HHD 7
IATOM    BCL-1  N A 8
IATOM    BCL-1  C1A 9
IATOM    BCL-1  C2A 10
IATOM    BCL-1  C3A 11
IATOM    BCL-1  C4A 12
IATOM    BCL-1  CMA 13
IATOM    BCL-1  CAA 14
IATOM    BCL-1  CBA 15
IATOM    BCL-1  CGA 16
IATOM    BCL-1  O1A 17
IATOM    BCL-1  O2A 18
IATOM    BCL-1 1HMA 19
IATOM    BCL-1 2HMA 20
IATOM    BCL-1 3HMA 21
IATOM    BCL-1  H2A 22
IATOM    BCL-1  H3A 23
IATOM    BCL-1 1HAA 24
IATOM    BCL-1 2HAA 25
IATOM    BCL-1 1HBA 26
IATOM    BCL-1 2HBA 27
IATOM    BCL-1  N B 28
IATOM    BCL-1  C1B 29
IATOM    BCL-1  C2B 30
IATOM    BCL-1  C3B 31
IATOM    BCL-1  C4B 32
IATOM    BCL-1  CMB 33
IATOM    BCL-1  CAB 34
IATOM    BCL-1  CBB 35
IATOM    BCL-1  OBB 36
IATOM    BCL-1 1HMB 37
IATOM    BCL-1 2HMB 38
IATOM    BCL-1 3HMB 39
IATOM    BCL-1 1HBB 40
IATOM    BCL-1 2HBB 41
IATOM    BCL-1 3HBB 42
IATOM    BCL-1  N C 43
IATOM    BCL-1  C1C 44
IATOM    BCL-1  C2C 45
IATOM    BCL-1  C3C 46
IATOM    BCL-1  C4C 47
IATOM    BCL-1  CMC 48
IATOM    BCL-1  CAC 49
IATOM    BCL-1  CBC 50
IATOM    BCL-1 1HMC 51
IATOM    BCL-1 2HMC 52
IATOM    BCL-1 3HMC 53
IATOM    BCL-1  HAC 54
IATOM    BCL-1  H2C 55
IATOM    BCL-1 1HBC 56
IATOM    BCL-1 2HBC 57
IATOM    BCL-1 3HBC 58
IATOM    BCL-1  N D 59
IATOM    BCL-1  C1D 60
IATOM    BCL-1  C2D 61
IATOM    BCL-1  C3D 62
IATOM    BCL-1  C4D 63
IATOM    BCL-1  CMD 64
IATOM    BCL-1  CAD 65
IATOM    BCL-1  OBD 66
IATOM    BCL-1  CBD 67
IATOM    BCL-1  CGD 68
IATOM    BCL-1  O1D 69
IATOM    BCL-1  O2D 70
IATOM    BCL-1  CED 71
IATOM    BCL-1 1HMD 72
IATOM    BCL-1 2HMD 73
IATOM    BCL-1 3HMD 74
IATOM    BCL-1  HBD 75
IATOM    BCL-1 1HED 76
IATOM    BCL-1 2HED 77
IATOM    BCL-1 3HED 78

ATOMNAME BCLBK    0  C1 
ATOMNAME BCLBK    1  C2 
ATOMNAME BCLBK    2  C3 
ATOMNAME BCLBK    3  C4 
ATOMNAME BCLBK    4  C5 
ATOMNAME BCL01    0 MG  
ATOMNAME BCL01    1  CHA
ATOMNAME BCL01    2  CHB
ATOMNAME BCL01    3  CHC
ATOMNAME BCL01    4  CHD
ATOMNAME BCL01    5  HHB
ATOMNAME BCL01    6  HHC
ATOMNAME BCL01    7  HHD
ATOMNAME BCL01    8  N A
ATOMNAME BCL01    9  C1A
ATOMNAME BCL01   10  C2A
ATOMNAME BCL01   11  C3A
ATOMNAME BCL01   12  C4A
ATOMNAME BCL01   13  CMA
ATOMNAME BCL01   14  CAA
ATOMNAME BCL01   15  CBA
ATOMNAME BCL01   16  CGA
ATOMNAME BCL01   17  O1A
ATOMNAME BCL01   18  O2A
ATOMNAME BCL01   19 1HMA
ATOMNAME BCL01   20 2HMA
ATOMNAME BCL01   21 3HMA
ATOMNAME BCL01   22  H2A
ATOMNAME BCL01   23  H3A
ATOMNAME BCL01   24 1HAA
ATOMNAME BCL01   25 2HAA
ATOMNAME BCL01   26 1HBA
ATOMNAME BCL01   27 2HBA
ATOMNAME BCL01   28  N B
ATOMNAME BCL01   29  C1B
ATOMNAME BCL01   30  C2B
ATOMNAME BCL01   31  C3B
ATOMNAME BCL01   32  C4B
ATOMNAME BCL01   33  CMB
ATOMNAME BCL01   34  CAB
ATOMNAME BCL01   35  CBB
ATOMNAME BCL01   36  OBB
ATOMNAME BCL01   37 1HMB
ATOMNAME BCL01   38 2HMB
ATOMNAME BCL01   39 3HMB
ATOMNAME BCL01   40 1HBB
ATOMNAME BCL01   41 2HBB
ATOMNAME BCL01   42 3HBB
ATOMNAME BCL01   43  N C
ATOMNAME BCL01   44  C1C
ATOMNAME BCL01   45  C2C
ATOMNAME BCL01   46  C3C
ATOMNAME BCL01   47  C4C
ATOMNAME BCL01   48  CMC
ATOMNAME BCL01   49  CAC
ATOMNAME BCL01   50  CBC
ATOMNAME BCL01   51 1HMC
ATOMNAME BCL01   52 2HMC
ATOMNAME BCL01   53 3HMC
ATOMNAME BCL01   54  HAC
ATOMNAME BCL01   55  H2C
ATOMNAME BCL01   56 1HBC
ATOMNAME BCL01   57 2HBC
ATOMNAME BCL01   58 3HBC
ATOMNAME BCL01   59  N D
ATOMNAME BCL01   60  C1D
ATOMNAME BCL01   61  C2D
ATOMNAME BCL01   62  C3D
ATOMNAME BCL01   63  C4D
ATOMNAME BCL01   64  CMD
ATOMNAME BCL01   65  CAD
ATOMNAME BCL01   66  OBD
ATOMNAME BCL01   67  CBD
ATOMNAME BCL01   68  CGD
ATOMNAME BCL01   69  O1D
ATOMNAME BCL01   70  O2D
ATOMNAME BCL01   71  CED
ATOMNAME BCL01   72 1HMD
ATOMNAME BCL01   73 2HMD
ATOMNAME BCL01   74 3HMD
ATOMNAME BCL01   75  HBD
ATOMNAME BCL01   76 1HED
ATOMNAME BCL01   77 2HED
ATOMNAME BCL01   78 3HED
ATOMNAME BCL-1    0 MG  
ATOMNAME BCL-1    1  CHA
ATOMNAME BCL-1    2  CHB
ATOMNAME BCL-1    3  CHC
ATOMNAME BCL-1    4  CHD
ATOMNAME BCL-1    5  HHB
ATOMNAME BCL-1    6  HHC
ATOMNAME BCL-1    7  HHD
ATOMNAME BCL-1    8  N A
ATOMNAME BCL-1    9  C1A
ATOMNAME BCL-1   10  C2A
ATOMNAME BCL-1   11  C3A
ATOMNAME BCL-1   12  C4A
ATOMNAME BCL-1   13  CMA
ATOMNAME BCL-1   14  CAA
ATOMNAME BCL-1   15  CBA
ATOMNAME BCL-1   16  CGA
ATOMNAME BCL-1   17  O1A
ATOMNAME BCL-1   18  O2A
ATOMNAME BCL-1   19 1HMA
ATOMNAME BCL-1   20 2HMA
ATOMNAME BCL-1   21 3HMA
ATOMNAME BCL-1   22  H2A
ATOMNAME BCL-1   23  H3A
ATOMNAME BCL-1   24 1HAA
ATOMNAME BCL-1   25 2HAA
ATOMNAME BCL-1   26 1HBA
ATOMNAME BCL-1   27 2HBA
ATOMNAME BCL-1   28  N B
ATOMNAME BCL-1   29  C1B
ATOMNAME BCL-1   30  C2B
ATOMNAME BCL-1   31  C3B
ATOMNAME BCL-1   32  C4B
ATOMNAME BCL-1   33  CMB
ATOMNAME BCL-1   34  CAB
ATOMNAME BCL-1   35  CBB
ATOMNAME BCL-1   36  OBB
ATOMNAME BCL-1   37 1HMB
ATOMNAME BCL-1   38 2HMB
ATOMNAME BCL-1   39 3HMB
ATOMNAME BCL-1   40 1HBB
ATOMNAME BCL-1   41 2HBB
ATOMNAME BCL-1   42 3HBB
ATOMNAME BCL-1   43  N C
ATOMNAME BCL-1   44  C1C
ATOMNAME BCL-1   45  C2C
ATOMNAME BCL-1   46  C3C
ATOMNAME BCL-1   47  C4C
ATOMNAME BCL-1   48  CMC
ATOMNAME BCL-1   49  CAC
ATOMNAME BCL-1   50  CBC
ATOMNAME BCL-1   51 1HMC
ATOMNAME BCL-1   52 2HMC
ATOMNAME BCL-1   53 3HMC
ATOMNAME BCL-1   54  HAC
ATOMNAME BCL-1   55  H2C
ATOMNAME BCL-1   56 1HBC
ATOMNAME BCL-1   57 2HBC
ATOMNAME BCL-1   58 3HBC
ATOMNAME BCL-1   59  N D
ATOMNAME BCL-1   60  C1D
ATOMNAME BCL-1   61  C2D
ATOMNAME BCL-1   62  C3D
ATOMNAME BCL-1   63  C4D
ATOMNAME BCL-1   64  CMD
ATOMNAME BCL-1   65  CAD
ATOMNAME BCL-1   66  OBD
ATOMNAME BCL-1   67  CBD
ATOMNAME BCL-1   68  CGD
ATOMNAME BCL-1   69  O1D
ATOMNAME BCL-1   70  O2D
ATOMNAME BCL-1   71  CED
ATOMNAME BCL-1   72 1HMD
ATOMNAME BCL-1   73 2HMD
ATOMNAME BCL-1   74 3HMD
ATOMNAME BCL-1   75  HBD
ATOMNAME BCL-1   76 1HED
ATOMNAME BCL-1   77 2HED
ATOMNAME BCL-1   78 3HED









#Parameter file for BCHL
#zhenyu zhu 12/15/03

#1.Basic Conformer Informatsp3: name, pka, em, rxn.
#23456789A123456789B123456789C
PROTON   BCL01      0
PROTON   BCL-1      -1
PKA      BCL01      0.0
PKA      BCL-1      40.0
ELECTRON BCL01      0
ELECTRON BCL-1      0
EM       BCL01      0.0
EM       BCL-1      0.0
RXN      BCL01      -6.20 # 1/2 of existing value
RXN      BCL-1      -11.95 # 1/2 of existing value

#2.Structure Connectivity
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
CONNECT  BCLBK  C1  sp2       0     O2A 0     C2 
CONNECT  BCLBK  C2  sp2       0     C1  0     C3 
CONNECT  BCLBK  C3  sp3       0     C2  0     C4  0     C5 
CONNECT  BCLBK  C4  s         0     C3 
CONNECT  BCLBK  C5  s         0     C3 

#BCL01----------------------------------------------------------------
CONNECT  BCL01 MG   ion       0     N A 0     N B 0     N C 0     N D
CONNECT  BCL01  CHA sp2       0     C4D 0     C1A 0     CBD
CONNECT  BCL01  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  BCL01  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  BCL01  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  BCL01  HHB s         0     CHB
CONNECT  BCL01  HHC s         0     CHC
CONNECT  BCL01  HHD s         0     CHD

#Group N A
CONNECT  BCL01  N A sp2       0    MG   0     C1A 0     C4A
CONNECT  BCL01  C1A sp2       0     N A 0     CHA 0     C2A
CONNECT  BCL01  C2A sp3       0     C1A 0     C3A 0     CAA 0     H2A
CONNECT  BCL01  C3A sp3       0     C2A 0     CMA 0     C4A 0     H3A
CONNECT  BCL01  C4A sp2       0     C3A 0     CHB 0     N A
CONNECT  BCL01  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  BCL01  CAA sp3       0     C2A 0     CBA 0    1HAA 0    2HAA
CONNECT  BCL01  CBA sp3       0     CAA 0     CGA 0    1HBA 0    2HBA
CONNECT  BCL01  CGA sp2       0     CBA 0     O1A 0     O2A
CONNECT  BCL01  O1A s         0     CGA 
CONNECT  BCL01  O2A sp3       0     CGA 0     C1 

CONNECT  BCL01 1HMA s         0     CMA
CONNECT  BCL01 2HMA s         0     CMA
CONNECT  BCL01 3HMA s         0     CMA
CONNECT  BCL01  H2A s         0     C2A
CONNECT  BCL01  H3A s         0     C3A
CONNECT  BCL01 1HAA s         0     CAA
CONNECT  BCL01 2HAA s         0     CAA
CONNECT  BCL01 1HBA s         0     CBA
CONNECT  BCL01 2HBA s         0     CBA

#Group N B
CONNECT  BCL01  N B sp2       0    MG   0     C1B 0     C4B
CONNECT  BCL01  C1B sp2       0     N B 0     CHB 0     C2B
CONNECT  BCL01  C2B sp2       0     C1B 0     CMB 0     C3B
CONNECT  BCL01  C3B sp2       0     C2B 0     CAB 0     C4B
CONNECT  BCL01  C4B sp2       0     C3B 0     CHC 0     N B
CONNECT  BCL01  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  BCL01  CAB sp2       0     C3B 0     CBB 0     OBB
CONNECT  BCL01  CBB sp3       0     CAB 0    1HBB 0    2HBB 0    3HBB
CONNECT  BCL01  OBB s         0     CAB

CONNECT  BCL01 1HMB s         0     CMB
CONNECT  BCL01 2HMB s         0     CMB
CONNECT  BCL01 3HMB s         0     CMB
CONNECT  BCL01 1HBB s         0     CBB
CONNECT  BCL01 2HBB s         0     CBB
CONNECT  BCL01 3HBB s         0     CBB

#Group N C
CONNECT  BCL01  N C sp2       0    MG   0     C1C 0     C4C
CONNECT  BCL01  C1C sp2       0     N C 0     CHC 0     C2C
CONNECT  BCL01  C2C sp3       0     C1C 0     CMC 0     C3C 0     H2C
CONNECT  BCL01  C3C sp2       0     C2C 0     CAC 0     C4C
CONNECT  BCL01  C4C sp2       0     C3C 0     CHD 0     N C
CONNECT  BCL01  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  BCL01  CAC sp2       0     C3C 0     CBC 0     HAC
CONNECT  BCL01  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC

CONNECT  BCL01 1HMC s         0     CMC
CONNECT  BCL01 2HMC s         0     CMC
CONNECT  BCL01 3HMC s         0     CMC
CONNECT  BCL01  HAC s         0     CAC
CONNECT  BCL01  H2C s         0     C2C
CONNECT  BCL01 1HBC s         0     CBC
CONNECT  BCL01 2HBC s         0     CBC
CONNECT  BCL01 3HBC s         0     CBC


#Group N D
CONNECT  BCL01  N D sp2       0    MG   0     C1D 0     C4D
CONNECT  BCL01  C1D sp2       0     N D 0     CHD 0     C2D
CONNECT  BCL01  C2D sp2       0     C1D 0     CMD 0     C3D
CONNECT  BCL01  C3D sp2       0     C2D 0     C4D 0     CAD
CONNECT  BCL01  C4D sp2       0     C3D 0     CHA 0     N D
CONNECT  BCL01  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  BCL01  CAD sp2       0     C3D 0     OBD 0     CBD
CONNECT  BCL01  OBD s         0     CAD 
CONNECT  BCL01  CBD sp3       0     CHA 0     CAD 0     CGD 0     HBD
CONNECT  BCL01  CGD sp2       0     CBD 0     O1D 0     O2D
CONNECT  BCL01  O1D s         0     CGD 
CONNECT  BCL01  O2D sp2       0     CGD 0     CED
CONNECT  BCL01  CED sp3       0     O2D 0    1HED 0    2HED 0    3HED

CONNECT  BCL01 1HMD s         0     CMD
CONNECT  BCL01 2HMD s         0     CMD
CONNECT  BCL01 3HMD s         0     CMD
CONNECT  BCL01  HBD s         0     CBD
CONNECT  BCL01 1HED s         0     CED
CONNECT  BCL01 2HED s         0     CED
CONNECT  BCL01 3HED s         0     CED


#BCL-1 ---------------------------------------------------------------
CONNECT  BCL-1 MG   ion       0     N A 0     N B 0     N C 0     N D
CONNECT  BCL-1  CHA sp2       0     C4D 0     C1A 0     CBD
CONNECT  BCL-1  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  BCL-1  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  BCL-1  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  BCL-1  HHB s         0     CHB
CONNECT  BCL-1  HHC s         0     CHC
CONNECT  BCL-1  HHD s         0     CHD

#Group N A
CONNECT  BCL-1  N A sp2       0    MG   0     C1A 0     C4A
CONNECT  BCL-1  C1A sp2       0     N A 0     CHA 0     C2A
CONNECT  BCL-1  C2A sp3       0     C1A 0     C3A 0     CAA 0     H2A
CONNECT  BCL-1  C3A sp3       0     C2A 0     CMA 0     C4A 0     H3A
CONNECT  BCL-1  C4A sp2       0     C3A 0     CHB 0     N A
CONNECT  BCL-1  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  BCL-1  CAA sp3       0     C2A 0     CBA 0    1HAA 0    2HAA
CONNECT  BCL-1  CBA sp3       0     CAA 0     CGA 0    1HBA 0    2HBA
CONNECT  BCL-1  CGA sp2       0     CBA 0     O1A 0     O2A
CONNECT  BCL-1  O1A s         0     CGA 
CONNECT  BCL-1  O2A sp3       0     CGA 0     C1 

CONNECT  BCL-1 1HMA s         0     CMA
CONNECT  BCL-1 2HMA s         0     CMA
CONNECT  BCL-1 3HMA s         0     CMA
CONNECT  BCL-1  H2A s         0     C2A
CONNECT  BCL-1  H3A s         0     C3A
CONNECT  BCL-1 1HAA s         0     CAA
CONNECT  BCL-1 2HAA s         0     CAA
CONNECT  BCL-1 1HBA s         0     CBA
CONNECT  BCL-1 2HBA s         0     CBA

#Group N B
CONNECT  BCL-1  N B sp2       0    MG   0     C1B 0     C4B
CONNECT  BCL-1  C1B sp2       0     N B 0     CHB 0     C2B
CONNECT  BCL-1  C2B sp2       0     C1B 0     CMB 0     C3B
CONNECT  BCL-1  C3B sp2       0     C2B 0     CAB 0     C4B
CONNECT  BCL-1  C4B sp2       0     C3B 0     CHC 0     N B
CONNECT  BCL-1  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  BCL-1  CAB sp2       0     C3B 0     CBB 0     OBB
CONNECT  BCL-1  CBB sp3       0     CAB 0    1HBB 0    2HBB 0    3HBB
CONNECT  BCL-1  OBB s         0     CAB

CONNECT  BCL-1 1HMB s         0     CMB
CONNECT  BCL-1 2HMB s         0     CMB
CONNECT  BCL-1 3HMB s         0     CMB
CONNECT  BCL-1 1HBB s         0     CBB
CONNECT  BCL-1 2HBB s         0     CBB
CONNECT  BCL-1 3HBB s         0     CBB

#Group N C
CONNECT  BCL-1  N C sp2       0    MG   0     C1C 0     C4C
CONNECT  BCL-1  C1C sp2       0     N C 0     CHC 0     C2C
CONNECT  BCL-1  C2C sp3       0     C1C 0     CMC 0     C3C 0     H2C
CONNECT  BCL-1  C3C sp2       0     C2C 0     CAC 0     C4C
CONNECT  BCL-1  C4C sp2       0     C3C 0     CHD 0     N C
CONNECT  BCL-1  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  BCL-1  CAC sp2       0     C3C 0     CBC 0     HAC
CONNECT  BCL-1  CBC sp3       0     CAC 0    1HBC 0    2HBC 0    3HBC

CONNECT  BCL-1 1HMC s         0     CMC
CONNECT  BCL-1 2HMC s         0     CMC
CONNECT  BCL-1 3HMC s         0     CMC
CONNECT  BCL-1  HAC s         0     CAC
CONNECT  BCL-1  H2C s         0     C2C
CONNECT  BCL-1 1HBC s         0     CBC
CONNECT  BCL-1 2HBC s         0     CBC
CONNECT  BCL-1 3HBC s         0     CBC


#Group N D
CONNECT  BCL-1  N D sp2       0    MG   0     C1D 0     C4D
CONNECT  BCL-1  C1D sp2       0     N D 0     CHD 0     C2D
CONNECT  BCL-1  C2D sp2       0     C1D 0     CMD 0     C3D
CONNECT  BCL-1  C3D sp2       0     C2D 0     C4D 0     CAD
CONNECT  BCL-1  C4D sp2       0     C3D 0     CHA 0     N D
CONNECT  BCL-1  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  BCL-1  CAD sp2       0     C3D 0     OBD 0     CBD
CONNECT  BCL-1  OBD s         0     CAD 
CONNECT  BCL-1  CBD sp3       0     CHA 0     CAD 0     CGD 0     HBD
CONNECT  BCL-1  CGD sp2       0     CBD 0     O1D 0     O2D
CONNECT  BCL-1  O1D s         0     CGD 
CONNECT  BCL-1  O2D sp2       0     CGD 0     CED
CONNECT  BCL-1  CED sp3       0     O2D 0    1HED 0    2HED 0    3HED

CONNECT  BCL-1 1HMD s         0     CMD
CONNECT  BCL-1 2HMD s         0     CMD
CONNECT  BCL-1 3HMD s         0     CMD
CONNECT  BCL-1  HBD s         0     CBD
CONNECT  BCL-1 1HED s         0     CED
CONNECT  BCL-1 2HED s         0     CED
CONNECT  BCL-1 3HED s         0     CED


#3.Atom Parameters: Partial Charges and Radii
#23456789A123456789B123456789C
RADIUS   BCL   MG   1.45
RADIUS   BCL    N A 1.50
RADIUS   BCL    N B 1.50
RADIUS   BCL    N C 1.50
RADIUS   BCL    N D 1.50

RADIUS   BCL    C1  1.80
RADIUS   BCL    C2  1.80
RADIUS   BCL    C3  1.80 
RADIUS   BCL    C4  1.80
RADIUS   BCL    C5  1.80
RADIUS   BCL    CHA 1.80
RADIUS   BCL    CHB 1.80
RADIUS   BCL    CHC 1.80
RADIUS   BCL    CHD 1.80
RADIUS   BCL    C1A 1.80
RADIUS   BCL    C2A 1.80
RADIUS   BCL    C3A 1.80
RADIUS   BCL    C4A 1.80
RADIUS   BCL    CMA 1.80
RADIUS   BCL    CAA 1.80
RADIUS   BCL    CBA 1.80
RADIUS   BCL    CGA 1.80
RADIUS   BCL    C1B 1.80
RADIUS   BCL    C2B 1.80
RADIUS   BCL    C3B 1.80
RADIUS   BCL    C4B 1.80
RADIUS   BCL    CMB 1.80
RADIUS   BCL    CAB 1.80
RADIUS   BCL    CBB 1.80
RADIUS   BCL    C1C 1.80
RADIUS   BCL    C2C 1.80
RADIUS   BCL    C3C 1.80
RADIUS   BCL    C4C 1.80
RADIUS   BCL    CMC 1.80
RADIUS   BCL    CAC 1.80
RADIUS   BCL    CBC 1.80
RADIUS   BCL    C1D 1.80
RADIUS   BCL    C2D 1.80
RADIUS   BCL    C3D 1.80
RADIUS   BCL    C4D 1.80
RADIUS   BCL    CMD 1.80
RADIUS   BCL    CAD 1.80
RADIUS   BCL    CBD 1.80
RADIUS   BCL    CGD 1.80
RADIUS   BCL    CED 1.80

RADIUS   BCL    O1A 1.60
RADIUS   BCL    O2A 1.60
RADIUS   BCL    OBB 1.60
RADIUS   BCL    OBD 1.60
RADIUS   BCL    O1D 1.60
RADIUS   BCL    O2D 1.60

RADIUS   BCL    HHB 1.20
RADIUS   BCL    HHC 1.20
RADIUS   BCL    HHD 1.20
RADIUS   BCL   1HMA 1.20
RADIUS   BCL   2HMA 1.20
RADIUS   BCL   3HMA 1.20
RADIUS   BCL    H2A 1.20
RADIUS   BCL    H3A 1.20
RADIUS   BCL   1HAA 1.20
RADIUS   BCL   2HAA 1.20
RADIUS   BCL   1HBA 1.20
RADIUS   BCL   2HBA 1.20
RADIUS   BCL   1HMB 1.20
RADIUS   BCL   2HMB 1.20
RADIUS   BCL   3HMB 1.20
RADIUS   BCL   1HBB 1.20
RADIUS   BCL   2HBB 1.20
RADIUS   BCL   3HBB 1.20
RADIUS   BCL   1HMC 1.20
RADIUS   BCL   2HMC 1.20
RADIUS   BCL   3HMC 1.20
RADIUS   BCL    HAC 1.20
RADIUS   BCL    H2C 1.20
RADIUS   BCL   1HBC 1.20
RADIUS   BCL   2HBC 1.20
RADIUS   BCL   3HBC 1.20
RADIUS   BCL   1HMD 1.20
RADIUS   BCL   2HMD 1.20
RADIUS   BCL   3HMD 1.20
RADIUS   BCL    HBD 1.20
RADIUS   BCL   1HED 1.20
RADIUS   BCL   2HED 1.20
RADIUS   BCL   3HED 1.20

#23456789A123456789B123456789C
#Backbone------------------
CHARGE   BCLBK  C1    0.000
CHARGE   BCLBK  C2    0.000
CHARGE   BCLBK  C3    0.000 
CHARGE   BCLBK  C4    0.000
CHARGE   BCLBK  C5    0.000
#BCL01----------------------
CHARGE   BCL01 2HBC   0.090
CHARGE   BCL01  CHB  -0.016
CHARGE   BCL01  HHB   0.000
CHARGE   BCL01  C1B  -0.008
CHARGE   BCL01  C2B  -0.041
CHARGE   BCL01  CMB  -0.291
CHARGE   BCL01 1HMB   0.097
CHARGE   BCL01 2HMB   0.097
CHARGE   BCL01 3HMB   0.097
CHARGE   BCL01  C3B  -0.044
CHARGE   BCL01  CAB   0.220
CHARGE   BCL01  CBB  -0.291
CHARGE   BCL01 1HBB   0.097
CHARGE   BCL01 2HBB   0.097
CHARGE   BCL01 3HBB   0.097
CHARGE   BCL01  OBB  -0.287
CHARGE   BCL01  C4B  -0.019
CHARGE   BCL01  N B  -0.208
CHARGE   BCL01  CHC   0.017
CHARGE   BCL01  HHC   0.000
CHARGE   BCL01  C1C  -0.024
CHARGE   BCL01  C2C  -0.097
CHARGE   BCL01  H2C   0.097
CHARGE   BCL01  CMC  -0.291
CHARGE   BCL01 1HMC   0.097
CHARGE   BCL01 2HMC   0.097
CHARGE   BCL01 3HMC   0.097
CHARGE   BCL01  C3C   0.000
CHARGE   BCL01  CAC  -0.097
CHARGE   BCL01  HAC   0.097
CHARGE   BCL01  CBC  -0.291
CHARGE   BCL01 1HBC   0.097
CHARGE   BCL01 2HBC   0.097
CHARGE   BCL01 3HBC   0.097
CHARGE   BCL01  C4C  -0.023
CHARGE   BCL01  N C  -0.054
CHARGE   BCL01  CHD   0.010
CHARGE   BCL01  HHD   0.000
CHARGE   BCL01  C1D  -0.008
CHARGE   BCL01  C2D  -0.009
CHARGE   BCL01  CMD  -0.291
CHARGE   BCL01 1HMD   0.097
CHARGE   BCL01 2HMD   0.097
CHARGE   BCL01 3HMD   0.097
CHARGE   BCL01  C3D  -0.047
CHARGE   BCL01  CAD   0.213
CHARGE   BCL01  OBD  -0.269
CHARGE   BCL01  CBD  -0.097
CHARGE   BCL01  HBD   0.097
CHARGE   BCL01  CGD   0.700
CHARGE   BCL01  O1D  -0.350
CHARGE   BCL01  O2D  -0.350
CHARGE   BCL01  CED  -0.291
CHARGE   BCL01 1HED   0.097
CHARGE   BCL01 2HED   0.097
CHARGE   BCL01 3HED   0.097
CHARGE   BCL01  C4D   0.007
CHARGE   BCL01  N D  -0.224
CHARGE   BCL01  CHA  -0.072
CHARGE   BCL01  C1A   0.008
CHARGE   BCL01  C2A  -0.097
CHARGE   BCL01  H2A   0.097
CHARGE   BCL01  CAA  -0.194
CHARGE   BCL01 1HAA   0.097
CHARGE   BCL01 2HAA   0.097
CHARGE   BCL01  CBA  -0.194
CHARGE   BCL01 1HBA   0.097
CHARGE   BCL01 2HBA   0.097
CHARGE   BCL01  CGA   0.700
CHARGE   BCL01  O1A  -0.350
CHARGE   BCL01  O2A  -0.350
CHARGE   BCL01  C3A  -0.097
CHARGE   BCL01  H3A   0.097
CHARGE   BCL01  CMA  -0.291
CHARGE   BCL01 1HMA   0.097
CHARGE   BCL01 2HMA   0.097
CHARGE   BCL01 3HMA   0.097
CHARGE   BCL01  C4A  -0.022
CHARGE   BCL01  N A  -0.101
CHARGE   BCL01 MG     1.001
#BCL-1---------------------
CHARGE   BCL-1  CHB  -0.070
CHARGE   BCL-1  HHB   0.000
CHARGE   BCL-1  C1B  -0.049
CHARGE   BCL-1  C2B  -0.093
CHARGE   BCL-1  CMB  -0.291
CHARGE   BCL-1 1HMB   0.097
CHARGE   BCL-1 2HMB   0.097
CHARGE   BCL-1 3HMB   0.097
CHARGE   BCL-1  C3B  -0.090
CHARGE   BCL-1  CAB   0.201
CHARGE   BCL-1  CBB  -0.291
CHARGE   BCL-1 1HBB   0.097
CHARGE   BCL-1 2HBB   0.097
CHARGE   BCL-1 3HBB   0.097
CHARGE   BCL-1  OBB  -0.314
CHARGE   BCL-1  C4B  -0.051
CHARGE   BCL-1  N B  -0.209
CHARGE   BCL-1  CHC  -0.063
CHARGE   BCL-1  HHC   0.000
CHARGE   BCL-1  C1C  -0.037
CHARGE   BCL-1  C2C  -0.097
CHARGE   BCL-1  H2C   0.097
CHARGE   BCL-1  CMC  -0.291
CHARGE   BCL-1 1HMC   0.097
CHARGE   BCL-1 2HMC   0.097
CHARGE   BCL-1 3HMC   0.097
CHARGE   BCL-1  C3C   0.000
CHARGE   BCL-1  CAC  -0.097
CHARGE   BCL-1  HAC   0.097
CHARGE   BCL-1  CBC  -0.291
CHARGE   BCL-1 1HBC   0.097
CHARGE   BCL-1 2HBC   0.097
CHARGE   BCL-1 3HBC   0.097
CHARGE   BCL-1  C4C  -0.064
CHARGE   BCL-1  N C  -0.126
CHARGE   BCL-1  CHD  -0.068
CHARGE   BCL-1  HHD   0.000
CHARGE   BCL-1  C1D  -0.056
CHARGE   BCL-1  C2D  -0.072
CHARGE   BCL-1  CMD  -0.291
CHARGE   BCL-1 1HMD   0.097
CHARGE   BCL-1 2HMD   0.097
CHARGE   BCL-1 3HMD   0.097
CHARGE   BCL-1  C3D  -0.094
CHARGE   BCL-1  CAD   0.206
CHARGE   BCL-1  OBD  -0.284
CHARGE   BCL-1  CBD  -0.097
CHARGE   BCL-1  HBD   0.097
CHARGE   BCL-1  CGD   0.700
CHARGE   BCL-1  O1D  -0.350
CHARGE   BCL-1  O2D  -0.350
CHARGE   BCL-1  CED  -0.291
CHARGE   BCL-1 1HED   0.097
CHARGE   BCL-1 2HED   0.097
CHARGE   BCL-1 3HED   0.097
CHARGE   BCL-1  C4D  -0.048
CHARGE   BCL-1  N D  -0.234
CHARGE   BCL-1  CHA  -0.137
CHARGE   BCL-1  C1A  -0.004
CHARGE   BCL-1  C2A  -0.097
CHARGE   BCL-1  H2A   0.097
CHARGE   BCL-1  CAA  -0.194
CHARGE   BCL-1 1HAA   0.097
CHARGE   BCL-1 2HAA   0.097
CHARGE   BCL-1  CBA  -0.194
CHARGE   BCL-1 1HBA   0.097
CHARGE   BCL-1 2HBA   0.097
CHARGE   BCL-1  CGA   0.700
CHARGE   BCL-1  O1A  -0.350
CHARGE   BCL-1  O2A  -0.350
CHARGE   BCL-1  C3A  -0.097
CHARGE   BCL-1  H3A   0.097
CHARGE   BCL-1  CMA  -0.291
CHARGE   BCL-1 1HMA   0.097
CHARGE   BCL-1 2HMA   0.097
CHARGE   BCL-1 3HMA   0.097
CHARGE   BCL-1  C4A  -0.042
CHARGE   BCL-1  N A  -0.202
CHARGE   BCL-1 MG     1.000

#4.Rotomer
#23456789A123456789B123456789CEND
